SCHEMBL3879832

SCHEMBL3879832

O=C(Nc1cc(CNCCc2ccccc2)ccc1Cl)c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
GRM4 Q14833 2/20 0.47
HDAC1 Q13547 3/20 0.47
ICOSLG O75144 1/20 0.46
ICOS Q9Y6W8 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.46
GRM5 P41594 1/20 0.45
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
ROCK2 O75116 1/20 0.44
KCNH2 Q12809 1/20 0.44
ROCK1 Q13464 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3957848 0.86 HDAC1 (0.58) MAPTSMN1; SMN2KDM4EHTTHDAC1
SCHEMBL3958683 0.85 HDAC1 (0.53) MAPTSMN1; SMN2KDM4EHDAC1ICOSLG
SCHEMBL3955981 0.84 ALDH1A1 (0.51) MAPTSMN1; SMN2KDM4EHTTHDAC1
SCHEMBL3959328 0.84 NPC1 (0.61) MAPTKDM4EHDAC1RAB9A
SCHEMBL3957764 0.83 HDAC1 (0.56) MAPTSMN1; SMN2KDM4EHDAC1ICOSLG
SCHEMBL3959300 0.83 SMN1; SMN2 (0.60) MAPTSMN1; SMN2KDM4EHDAC1RAB9A
SCHEMBL3879025 0.83 LMNA (0.55) MAPTSMN1; SMN2KDM4EHTTHDAC1
SCHEMBL3957756 0.82 NPC1 (0.50) MAPTSMN1; SMN2KDM4EHTTHDAC1
SCHEMBL3954526 0.82 MEN1 (0.49) MAPTSMN1; SMN2KDM4EHTTHDAC1
SCHEMBL3957834 0.82 FAAH (0.58) MAPTSMN1; SMN2HDAC1RAB9AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 EP claimed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 WO claimed
EP-2079525-A1 CALCIUM RECEPTOR MODULATING AGENTS Amgen Inc. (US) 2009-07-22 EP disclosed
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 EP disclosed
WO-2008057282-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. (US) 2008-05-15 WO disclosed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 WO disclosed